Vitas-M small molecule compound
2-{3-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK945672
SMILES O=C1N(CCCc2nc3n(n2)cnc2c3c(C)c(n2c2ccc(cc2)C)C)C(=O)c2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H24N6O2 MW 464.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O2/c1-16-10-12-19(13-11-16)33-18(3)17(2)23-24(33)28-15-32-25(23)29-22(30-32)9-6-14-31-26(34)20-7-4-5-8-21(20)27(31)35/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3InChIKey
ATNORWKUVSAAFQ-UHFFFAOYSA-NSynonyms
2(3(89dimethyl7(4methylphenyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)propyl)1Hisoindole13(2H)dione
CC1=CC=C(C=C1)N2C(=C(C3=C2N=CN4C3=NC(=N4)CCCN5C(=O)C6=CC=CC=C6C5=O)C)C
InChI=1SC27H24N6O2c116101219(131116)3318(3)17(2)2324(33)28153225(23)2922(3032)96143126(34)20745821(20)27(31)35h4578101315H6914H213H3
MFCD18180684
ZINC000021801214
ZINC21801214
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